› 6qkr

X-ray diffraction
2.2Å resolution

2-Naphthoyl-CoA Reductase-2-Naphthoyl-CoA complex(NCR-NCoA-soaked complex)

Released:
DOI: 10.2210/pdb6qkr/pdb
PDB entry 6qkr coloured by chain, front view.
PDB entry 6qkr coloured by chain, side view.
PDB entry 6qkr coloured by chain, top view.
Source organism: bacterium enrichment culture clone N47
Primary publication:
Low potential enzymatic hydride transfer via highly cooperative and inversely functionalized flavin cofactors.
Willistein M, Bechtel DF, Müller CS, Demmer U, Heimann L, Kayastha K, Schünemann V, Pierik AJ, Ullmann GM, Ermler U, Boll M
Nat Commun 10 2074 (2019)
PMID: 31061390

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-122807 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NADH oxidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 714 amino acids
Theoretical weight: 77.92 KDa
Source organism: bacterium enrichment culture clone N47
Expression system: Escherichia coli
UniProt:
  • Canonical: E1YD54 (Residues: 1-670; Coverage: 100%)
Gene name: N47_G38220
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand SF4 2 x SF4
Ligand FAD 2 x FAD
Ligand FMN 2 x FMN
Ligand J5H 2 x J5H
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P21
Unit cell:
a: 81.67Å b: 86.05Å c: 96.9Å
α: 90° β: 90.67° γ: 90°
R-values:
R R work R free
0.18 0.178 0.218
Expression system: Escherichia coli

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Citations

1 review citation

Biocatalytic Reduction Reactions from a Chemist's Perspective.
Hollmann et al. (2021)
3 other articles